SCHEMBL5022698

SCHEMBL5022698

Cc1cc(N2CCCC2)c2ccc(N(C)C3CC3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.54
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NPY5R Q15761 1/20 0.39
KMT2A Q03164 2/20 0.37
PARP14 Q460N5 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
RAD52 P43351 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27616505 0.83 LATS1 (0.40) NCF1ADRB2ADRB1HSD17B10PARP14
SCHEMBL5092190 0.83 LATS1 (0.40) NCF1ADRB2ADRB1HSD17B10PARP14
SCHEMBL5028565 0.81 PKM (0.56) NCF1ADRB2MAPK1HSD17B10PKM
SCHEMBL27597786 0.81 NCF1 (0.34) NCF1ADRB2ADRB1HSD17B10KMT2A
SCHEMBL27597788 0.81 NCF1 (0.34) NCF1ADRB2ADRB1HSD17B10KMT2A
SCHEMBL27597787 0.81 NCF1 (0.34) NCF1ADRB2ADRB1HSD17B10KMT2A
SCHEMBL5495835 0.80 MEN1 (0.51) MAPK1HSD17B10NPY5RKMT2AKDM4E
SCHEMBL5028584 0.80 NCF1 (0.65) NCF1ADRB2ADRB1MAPK1HTT
SCHEMBL27597792 0.79 NCF1 (0.53) NCF1ADRB2ADRB1MAPK1HTT
SCHEMBL5419192 0.79 NCF1 (0.56) NCF1ADRB2ADRB1MAPK1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R NCF1 1858/4885ADRB2 519/4885ADRB1 141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.